trans-2-Decenoic acid → HCID 117920261, compound

HRID 1486615Notes

Reaction equation

[C:1](O)(=O)/[CH:2]=C/CCCCCCC.[C:13]([N:24]1[CH2:29][CH2:28][N:27]([CH2:30][CH2:31][C:32]([OH:34])=[O:33])[CH2:26][CH2:25]1)(=[O:23])/[CH:14]=[CH:15]/[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22]>>[C:13]([N:24]1[CH2:29][CH2:28][N:27]([CH2:30][CH2:31][C:32]([O:34][CH2:1][CH3:2])=[O:33])[CH2:26][CH2:25]1)(=[O:23])/[CH:14]=[CH:15]/[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22]

Participants

Reactant 2

HCID 5282724trans-2-Decenoic acid

HCID 89881737HCID 89881737, compound

Product 1

HCID 117920261HCID 117920261, compound

Procedure

The same procedures as in Example 2 were carried out using (E)-2-decenoic acid and ethyl 3-piperazin-1-yl propionate dihydrochloride (ethyl ester of Compound 21) as starting raw materials, to produce ethyl 3-[4-((E)-2-decenoyl)piperazin-1-yl]propionate, and subjected to alkali saponification, to obtain an intended compound as white crystals. White crystals, mp 53°-55° C., C17H30N2O3 MW 310.4, EIMS: m/z 311 [M+H]+, 1H-NMR (500 MHz, DMSO-d6) δ: 0.86 (t, J=7.0 Hz, 3H), 1.19-1.31 (m, 8H), 1.35-1.44 (m, 2H), 2.12-2.20 (m, 2H), 2.32-2.43 (m, 6H), 2.55-2.61 (m, 2H), 3.43-3.57 (m, 4H), 6.45 (d, J=15.0 Hz, 1H), 6.65 (dt, J=15.0, 7.0 Hz, 1H), 11.70-12.70 (brs, 1H).

Sources & evidence

ORD record: ord-fd46b93056c9434da6512ff748433eca
Source dataset: uspto-grants-2016_08
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US09428477B2

Reaction notes

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